2-[(5S)-4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide

C17H18F3N3O3S — CID 9398924

IUPAC2-[(5S)-4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
SMILESO=C(C[C@@H]1SC(N2CCCCC2)=NC1=O)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C17H18F3N3O3S/c18-17(19,20)26-12-6-4-11(5-7-12)21-14(24)10-13-15(25)22-16(27-13)23-8-2-1-3-9-23/h4-7,13H,1-3,8-10H2,(H,21,24)/t13-/m0/s1
InChIKeyIFHJMLZXLUMBBT-ZDUSSCGKSA-N
MW401.41 g/mol
LogP3.40
Rot. Bonds4

About 2-[(5S)-4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide

2-[(5S)-4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide (PubChem CID 9398924) has the molecular formula C17H18F3N3O3S and a molecular weight of 401.41 g/mol. Its IUPAC name is 2-[(5S)-4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-[(5S)-4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
PubChem CID9398924
Molecular FormulaC17H18F3N3O3S
Molecular Weight401.41 g/mol
Exact Mass401.10
IUPAC Name2-[(5S)-4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
SMILESO=C(C[C@@H]1SC(N2CCCCC2)=NC1=O)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C17H18F3N3O3S/c18-17(19,20)26-12-6-4-11(5-7-12)21-14(24)10-13-15(25)22-16(27-13)23-8-2-1-3-9-23/h4-7,13H,1-3,8-10H2,(H,21,24)/t13-/m0/s1
InChIKeyIFHJMLZXLUMBBT-ZDUSSCGKSA-N
XLogP3.40
TPSA71.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.41
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-4-[[2-[(5S)-4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl]acetyl]amino]benzamide
CID 7612288
N-naphthalen-2-yl-2-(4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)acetamide
CID 24587710
N-[4-(azetidine-1-carbonyl)phenyl]-2-[(5S)-4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-yl]acetamide
CID 7612301
N-(3-chloro-4-fluorophenyl)-2-[(5R)-4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl]acetamide
CID 2109477
4-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]-N,N-di(propan-2-yl)benzamide
CID 56530406
N,N-bis(2-methoxyethyl)-4-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide
CID 55378379
N-ethyl-4-[[2-(4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide
CID 24982889
N-(3-chloro-4-methylphenyl)-2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetamide
CID 42996535
N-[4-(difluoromethoxy)phenyl]-2-(2-morpholin-4-yl-4-oxo-1,3-thiazol-5-yl)acetamide
CID 42650249
4-[[2-[(5R)-4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-yl]acetyl]amino]-N,N-dipropylbenzamide
CID 39963574
N-(2,5-dimethoxyphenyl)-4-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide
CID 55378431
N-[(2R)-butan-2-yl]-4-[[2-[(5S)-4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl]acetyl]amino]benzamide
CID 9441013

Frequently Asked Questions

What is the IUPAC name of 2-[(5S)-4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide?
The IUPAC name of 2-[(5S)-4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide (CID 9398924) is 2-[(5S)-4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide.
What is the SMILES notation for 2-[(5S)-4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide?
The canonical SMILES for 2-[(5S)-4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide is O=C(C[C@@H]1SC(N2CCCCC2)=NC1=O)Nc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 2-[(5S)-4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide?
The InChIKey is IFHJMLZXLUMBBT-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H18F3N3O3S/c18-17(19,20)26-12-6-4-11(5-7-12)21-14(24)10-13-15(25)22-16(27-13)23-8-2-1-3-9-23/h4-7,13H,1-3,8-10H2,(H,21,24)/t13-/m0/s1.
What are the key properties of 2-[(5S)-4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide?
2-[(5S)-4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide has a molecular weight of 401.41 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5S)-4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide is sourced from PubChem (CID 9398924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).